1-(4-bromo-2-methoxyphenyl)butan-1-ol

C11H15BrO2 — CID 115780858

IUPAC1-(4-bromo-2-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C11H15BrO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3
InChIKeySUTLWAGWUWGJTP-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)butan-1-ol

1-(4-bromo-2-methoxyphenyl)butan-1-ol (PubChem CID 115780858) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)butan-1-ol
PubChem CID115780858
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(4-bromo-2-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C11H15BrO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3
InChIKeySUTLWAGWUWGJTP-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
CID 83951303
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
CID 107895859
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)butan-1-ol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)butan-1-ol (CID 115780858) is 1-(4-bromo-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)butan-1-ol is CCCC(O)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)butan-1-ol?
The InChIKey is SUTLWAGWUWGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-3-4-10(13)9-6-5-8(12)7-11(9)14-2/h5-7,10,13H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)butan-1-ol?
1-(4-bromo-2-methoxyphenyl)butan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 115780858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).